SCHEMBL10345256

SCHEMBL10345256

Cc1ccc(N2CCN(c3c(C)cc(C)cc3C)C2)c(C)c1

nearest known ligand 0.50

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
HTT P42858 4/20 0.50
POLB P06746 1/20 0.50
MAPT P10636 4/20 0.49
ALDH1A1 P00352 3/20 0.49
MCOLN3 Q8TDD5 1/20 0.49
LMNA P02545 4/20 0.46
SMN1; SMN2 Q16637 2/20 0.46
MEN1 O00255 2/20 0.46
KMT2A Q03164 2/20 0.46
TSHR P16473 1/20 0.46
HPGD P15428 1/20 0.46
DRD2 P14416 7/20 0.45
DRD4 P21917 5/20 0.45
GAA P10253 1/20 0.44
MAPK1 P28482 1/20 0.43

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL3420619 0.91 MAPT (0.56) HTTPOLBMAPTALDH1A1MCOLN3
SCHEMBL283988 0.84 ALDH1A1 (0.52) HTTPOLBMAPTALDH1A1MCOLN3
SCHEMBL11503790 0.82 ALDH1A1 (0.50) HTTPOLBMAPTALDH1A1MCOLN3
Hydrochloric Acid SCHEMBL28554078 0.82 ALDH1A1 (0.50) HTTPOLBMAPTALDH1A1SMN1; SMN2
Hydrochloric Acid SCHEMBL451487 0.82 ALDH1A1 (0.50) HTTPOLBMAPTALDH1A1SMN1; SMN2
Bromide SCHEMBL1608735 0.82 ALDH1A1 (0.50) HTTPOLBMAPTALDH1A1SMN1; SMN2
SCHEMBL13490256 0.82 ALDH1A1 (0.50) HTTPOLBMAPTALDH1A1MCOLN3
SCHEMBL27676423 0.78 GAA (0.46) HTTPOLBMAPTALDH1A1SMN1; SMN2
Toluene SCHEMBL23630013 0.78 MAPT (0.44) HTTPOLBMAPTALDH1A1LMNA
SCHEMBL30874625 0.77 HTT (0.46) HTTPOLBMAPTALDH1A1LMNA

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3227936-B1 LUMINESCENT PALLADIUM(0) AND PLATINUM(0) CARBENE COMPLEXES FOR OLEDS UNIV COURT UNIV ST ANDREWS (GB) 2018-07-25 EP disclosed
US-8877936-B2 Ruthenium olefin metathesis catalysts bearing N-heterocyclic carbene ligands with substituted backbone CALIFORNIA INSTITUTE OF TECHNOLOGY (US) 2014-11-04 US disclosed
US-8361922-B2 Organometallic ruthenium complexes and related methods for the preparation of tetra-substituted and other hindered olefins MATERIA, INC. (US) 2013-01-29 US disclosed
US-8222265-B2 Six-membered N-heterocyclic carbene-based catalysts for asymmetric reactions FLORIDA STATE UNIVERSITY RESEARCH FOUNDATION (US) 2012-07-17 US disclosed
US-20110054170-A1 Six-membered N-Heterocyclic Carbene-based catalysts for asymmetric reactions FLORIDA STATE UNIVERSITY RESEARCH FOUNDATION (US) 2011-03-03 US disclosed
US-20100210515-A1 METHODS FOR PREPARING PURIFIED POLYPEPTIDE COMPOSITIONS AILERON THERAPEUTICS, INC. (US) 2010-08-19 US disclosed
US-20070282148-A1 Organometallic ruthenium complexes and related methods for the preparation of tetra-substituted and other hindered olefins CALIFORNIA INSTITUTE OF TECHNOLOGY 2007-12-06 US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (3 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20070282148-A1 Organometallic ruthenium complexes and related methods for the preparation of tetra-substituted and other hindered olefins ORC3, OXER1, CBR3 HTT 1107/4885POLB 2244/4885MAPT 2228/4885
US-20100210515-A1 METHODS FOR PREPARING PURIFIED POLYPEPTIDE COMPOSITIONS VIP, NGLY1, IAPP HTT 715/4885POLB 2612/4885MAPT 3949/4885
US-20110054170-A1 Six-membered N-Heterocyclic Carbene-based catalysts for asymmetric reactions NIT2, GNE, NISCH HTT 3742/4885POLB 2404/4885MAPT 4811/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.